N-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-methoxyethanamine

C11H15F2NOS — CID 66348149

IUPACN-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cccc(SC(F)F)c1
InChIInChI=1S/C11H15F2NOS/c1-15-6-5-14-8-9-3-2-4-10(7-9)16-11(12)13/h2-4,7,11,14H,5-6,8H2,1H3
InChIKeyCHCGCXJZAUESNC-UHFFFAOYSA-N
MW247.31 g/mol
LogP2.74
Rot. Bonds7

About N-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-methoxyethanamine

N-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-methoxyethanamine (PubChem CID 66348149) has the molecular formula C11H15F2NOS and a molecular weight of 247.31 g/mol. Its IUPAC name is N-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-methoxyethanamine
PubChem CID66348149
Molecular FormulaC11H15F2NOS
Molecular Weight247.31 g/mol
Exact Mass247.08
IUPAC NameN-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cccc(SC(F)F)c1
InChIInChI=1S/C11H15F2NOS/c1-15-6-5-14-8-9-3-2-4-10(7-9)16-11(12)13/h2-4,7,11,14H,5-6,8H2,1H3
InChIKeyCHCGCXJZAUESNC-UHFFFAOYSA-N
XLogP2.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[[3-(1-phenylethylsulfanyl)phenyl]methyl]ethanamine
CID 66347565
2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylpropanamide
CID 66348346
1-[3-(difluoromethylsulfanyl)phenyl]-N-methoxymethanamine
CID 117312262
2-methoxy-N-[[3-(3-methoxypropylsulfanyl)phenyl]methyl]ethanamine
CID 66348144
2-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanylbutanoic acid
CID 66349116
2-methoxy-N-[[3-[2-(trifluoromethylsulfanyl)ethylsulfanyl]phenyl]methyl]ethanamine
CID 116627082
2-methoxy-N-[[3-(2-methylpentylsulfanyl)phenyl]methyl]ethanamine
CID 66348917
3-[3-[(2-methoxyethylamino)methyl]phenyl]sulfanyl-N,N-dimethylpropanamide
CID 66349314
2-[3-(difluoromethylsulfanyl)phenyl]-N-methylethanamine
CID 117309692
N-[[3-(3,5-dimethylcyclohexyl)sulfanylphenyl]methyl]-2-methoxyethanamine
CID 66349500
N-[[3-(3-ethylsulfonylpropylsulfanyl)phenyl]methyl]-2-methoxyethanamine
CID 66348142
N-benzyl-2-methoxyethanamine;fluoromethane
CID 176962791

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-methoxyethanamine (CID 66348149) is N-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-methoxyethanamine is COCCNCc1cccc(SC(F)F)c1.
What is the InChIKey of N-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-methoxyethanamine?
The InChIKey is CHCGCXJZAUESNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NOS/c1-15-6-5-14-8-9-3-2-4-10(7-9)16-11(12)13/h2-4,7,11,14H,5-6,8H2,1H3.
What are the key properties of N-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-methoxyethanamine?
N-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-methoxyethanamine has a molecular weight of 247.31 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethylsulfanyl)phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 66348149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).